{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P4_132" } "basis-atom-coordinates" { "source-value" [ [ 0.188737 0.188737 0.188737 ] [ 0.438737 0.061263 0.938737 ] [ 0.938737 0.438737 0.061263 ] [ 0.061263 0.938737 0.438737 ] [ 0.311263 0.811263 0.688737 ] [ 0.688737 0.311263 0.811263 ] [ 0.811263 0.688737 0.311263 ] [ 0.561263 0.561263 0.561263 ] [ 0.875 0.875 0.875 ] [ 0.125 0.375 0.625 ] [ 0.625 0.125 0.375 ] [ 0.375 0.625 0.125 ] [ 0.125 0.807663 0.057663 ] [ 0.375 0.192337 0.557663 ] [ 0.875 0.307663 0.442337 ] [ 0.807663 0.057663 0.125 ] [ 0.192337 0.557663 0.375 ] [ 0.442337 0.875 0.307663 ] [ 0.057663 0.125 0.807663 ] [ 0.692337 0.942337 0.625 ] [ 0.557663 0.375 0.192337 ] [ 0.942337 0.625 0.692337 ] [ 0.307663 0.442337 0.875 ] [ 0.625 0.692337 0.942337 ] [ 0.040044 0.040044 0.040044 ] [ 0.290044 0.209956 0.790044 ] [ 0.790044 0.290044 0.209956 ] [ 0.209956 0.790044 0.290044 ] [ 0.459956 0.959956 0.540044 ] [ 0.540044 0.459956 0.959956 ] [ 0.959956 0.540044 0.459956 ] [ 0.709956 0.709956 0.709956 ] [ 0.205532 0.042332 0.998996 ] [ 0.455532 0.251004 0.792332 ] [ 0.955532 0.248996 0.207668 ] [ 0.748996 0.292332 0.044468 ] [ 0.251004 0.792332 0.455532 ] [ 0.207668 0.955532 0.248996 ] [ 0.292332 0.044468 0.748996 ] [ 0.998996 0.205532 0.042332 ] [ 0.042332 0.998996 0.205532 ] [ 0.457668 0.001004 0.705532 ] [ 0.498996 0.294468 0.957668 ] [ 0.957668 0.498996 0.294468 ] [ 0.501004 0.794468 0.542332 ] [ 0.001004 0.705532 0.457668 ] [ 0.542332 0.501004 0.794468 ] [ 0.705532 0.457668 0.001004 ] [ 0.794468 0.542332 0.501004 ] [ 0.294468 0.957668 0.498996 ] [ 0.792332 0.455532 0.251004 ] [ 0.707668 0.544468 0.751004 ] [ 0.248996 0.207668 0.955532 ] [ 0.751004 0.707668 0.544468 ] [ 0.044468 0.748996 0.292332 ] [ 0.544468 0.751004 0.707668 ] [ 0.125 0.166559 0.416559 ] [ 0.375 0.833441 0.916559 ] [ 0.875 0.666559 0.083441 ] [ 0.166559 0.416559 0.125 ] [ 0.833441 0.916559 0.375 ] [ 0.083441 0.875 0.666559 ] [ 0.416559 0.125 0.166559 ] [ 0.333441 0.583441 0.625 ] [ 0.916559 0.375 0.833441 ] [ 0.583441 0.625 0.333441 ] [ 0.666559 0.083441 0.875 ] [ 0.625 0.333441 0.583441 ] [ 0.240338 0.936715 0.87333 ] [ 0.490338 0.37667 0.686715 ] [ 0.990338 0.12333 0.313285 ] [ 0.62333 0.186715 0.009662 ] [ 0.37667 0.686715 0.490338 ] [ 0.313285 0.990338 0.12333 ] [ 0.186715 0.009662 0.62333 ] [ 0.87333 0.240338 0.936715 ] [ 0.936715 0.87333 0.240338 ] [ 0.563285 0.12667 0.740338 ] [ 0.37333 0.259662 0.063285 ] [ 0.063285 0.37333 0.259662 ] [ 0.62667 0.759662 0.436715 ] [ 0.12667 0.740338 0.563285 ] [ 0.436715 0.62667 0.759662 ] [ 0.740338 0.563285 0.12667 ] [ 0.759662 0.436715 0.62667 ] [ 0.259662 0.063285 0.37333 ] [ 0.686715 0.490338 0.37667 ] [ 0.813285 0.509662 0.87667 ] [ 0.12333 0.313285 0.990338 ] [ 0.87667 0.813285 0.509662 ] [ 0.009662 0.62333 0.186715 ] [ 0.509662 0.87667 0.813285 ] [ 0.414364 0.86079 0.076849 ] [ 0.664364 0.173151 0.61079 ] [ 0.164364 0.326849 0.38921 ] [ 0.826849 0.11079 0.835636 ] [ 0.173151 0.61079 0.664364 ] [ 0.38921 0.164364 0.326849 ] [ 0.11079 0.835636 0.826849 ] [ 0.076849 0.414364 0.86079 ] [ 0.86079 0.076849 0.414364 ] [ 0.63921 0.923151 0.914364 ] [ 0.576849 0.085636 0.13921 ] [ 0.13921 0.576849 0.085636 ] [ 0.423151 0.585636 0.36079 ] [ 0.923151 0.914364 0.63921 ] [ 0.36079 0.423151 0.585636 ] [ 0.914364 0.63921 0.923151 ] [ 0.585636 0.36079 0.423151 ] [ 0.085636 0.13921 0.576849 ] [ 0.61079 0.664364 0.173151 ] [ 0.88921 0.335636 0.673151 ] [ 0.326849 0.38921 0.164364 ] [ 0.673151 0.88921 0.335636 ] [ 0.835636 0.826849 0.11079 ] [ 0.335636 0.673151 0.88921 ] [ 0.325398 0.325398 0.325398 ] [ 0.575398 0.924602 0.075398 ] [ 0.075398 0.575398 0.924602 ] [ 0.924602 0.075398 0.575398 ] [ 0.174602 0.674602 0.825398 ] [ 0.825398 0.174602 0.674602 ] [ 0.674602 0.825398 0.174602 ] [ 0.424602 0.424602 0.424602 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 14.16619115 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.9325195037903224 "source-unit" "eV" } }