{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.1832483 5.1531818 5.8524132 ] [ -0.3558857 -5.5233958 4.0995743 ] [ 2.8951022 3.7306254 -5.0580497 ] [ -5.7583519 3.5579426 5.7545751 ] [ -3.5663694 5.2015576 -5.5191597 ] [ 4.1170826 -5.0927444 1.9277979 ] [ -2.5148261 -7.0271672 -7.0571512 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.304479246061344e-09 8.256307402692061e-09 9.376599604301316e-09 ] [ -5.701917482170426e-10 -8.849455618184914e-09 6.568242098692524e-09 ] [ 4.638465059666646e-09 5.977120796842648e-09 -8.103888976184453e-09 ] [ -9.22589678851926e-09 5.700452451868366e-09 9.219845687857822e-09 ] [ -5.713953673816524e-09 8.333813978464559e-09 -8.842668637801542e-09 ] [ 6.596293487622478e-09 -8.159476013390123e-09 3.088672725007337e-09 ] [ -4.029195582797643e-09 -1.12587629982926e-08 -1.130680266209066e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -35.702633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.720192389360257e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6054 3.0156862 1.32317 ] [ 1.787151 4.9056495 2.1136225 ] [ 2.1998693 3.2199113 3.4819075 ] [ 4.693157 2.93881 0.5987226 ] [ 4.2836717 3.1429982 2.7620731 ] [ 3.870152 4.8320087 1.3911312 ] [ 3.462168 5.0327151 3.5497372 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6054e-10 3.0156862e-10 1.32317e-10 ] [ 1.787151e-10 4.9056495e-10 2.1136225e-10 ] [ 2.1998693e-10 3.2199113e-10 3.4819075e-10 ] [ 4.693157000000001e-10 2.93881e-10 5.987226e-11 ] [ 4.2836717e-10 3.1429982e-10 2.7620731e-10 ] [ 3.870152e-10 4.8320087e-10 1.3911312e-10 ] [ 3.462168e-10 5.0327151e-10 3.5497372e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001588 -2.53e-05 -2.58e-05 ] [ -7.9e-05 6.57e-05 9e-06 ] [ -2.8e-05 3.7e-06 5.04e-05 ] [ -1.9e-05 -8.02e-05 -3.24e-05 ] [ -1.52e-05 -3.13e-05 -1.41e-05 ] [ -3.04e-05 7.93e-05 8.5e-06 ] [ 1.27e-05 -1.17e-05 4.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.5442564738304e-13 -4.053506850624e-14 -4.133615681664e-14 ] [ -1.265719530432e-13 1.0526300398656e-13 1.44195895872e-14 ] [ -4.48609453824e-14 5.928053496960001e-15 8.074970168832e-14 ] [ -3.04413557952e-14 -1.2849456498816e-13 -5.191052251392001e-14 ] [ -2.435308463616e-14 -5.014812823104e-14 -2.259069035328e-14 ] [ -4.870616927232e-14 1.2705260602944e-13 1.36185012768e-14 ] [ 2.034764308416e-14 -1.874546646336e-14 7.04957713152e-15 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }