{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.05932 0 0 ] "si-unit" "m" "si-value" [ 5.059319999999999e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.224512 5.44129 0 ] "si-unit" "m" "si-value" [ 2.24512e-11 5.441290000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.327401 0.688972 5.24092 ] "si-unit" "m" "si-value" [ 3.27401e-11 6.88972e-11 5.24092e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.119472 0.0796179 0.152764 ] [ 1.48092 1.5486 0.772169 ] [ 0.0612704 2.84226 2.7863 ] [ 1.84412 4.4971 3.9905 ] [ 2.88701 0.305191 2.51679 ] [ 4.25223 1.88781 3.92663 ] [ 2.58737 2.78734 -0.624797 ] [ 3.988 4.24006 0.48768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.19472e-11 7.96179e-12 1.52764e-11 ] [ 1.48092e-10 1.5486e-10 7.72169e-11 ] [ 6.127040000000001e-12 2.84226e-10 2.786300000000001e-10 ] [ 1.84412e-10 4.4971e-10 3.9905e-10 ] [ 2.88701e-10 3.05191e-11 2.51679e-10 ] [ 4.25223e-10 1.88781e-10 3.92663e-10 ] [ 2.58737e-10 2.78734e-10 -6.247970000000001e-11 ] [ 3.988e-10 4.24006e-10 4.8768e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 8.5264307 4.6905473 -3.4019463 ] [ -1.1858389 -2.0162813 6.9237475 ] [ 9.9477665 7.396547 -11.3063996 ] [ -15.2389342 12.095112 -11.3098489 ] [ 0.2396158 2.2429371 -2.3229835 ] [ -7.1078456 -5.2981367 1.3081598 ] [ 9.6951457 -10.1240033 10.4519365 ] [ -4.8763399 -8.9867221 9.6573346 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.366084792641138e-08 7.515085222816565e-09 -5.450518827077063e-09 ] [ -1.899923361615189e-09 -3.230438759816231e-09 1.109306637282245e-08 ] [ 1.593807891547744e-08 1.185057467804838e-08 -1.811484910454247e-08 ] [ -2.441546410114955e-08 1.937850567235753e-08 -1.81203754923606e-08 ] [ 3.839068327342886e-10 3.593581383544951e-09 -3.721829854204157e-09 ] [ -1.138802404457615e-08 -8.488550754542463e-09 2.095903047830404e-09 ] [ 1.553333577578965e-08 -1.622044139616205e-08 1.674584830238618e-08 ] [ -7.81275778285421e-09 -1.439831604624668e-08 1.547275571536292e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.6020164 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.217977294701818e-18 } }