{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.9386188 7.2324371 2.6374094 ] [ -9.0921598 -11.8127286 19.3625471 ] [ 7.7504042 12.7667815 -16.3165414 ] [ 12.3861844 -8.8866383 -6.1804651 ] [ -2.6657107 3.1691405 1.6026388 ] [ -13.654723 -12.9694663 15.5047481 ] [ -1.9626949 -1.4257426 -32.9868632 ] [ 20.1773185 11.9262167 16.3765263 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.072995254680335e-08 1.158764163302655e-08 4.225595680158156e-09 ] [ -1.45672458641376e-08 -1.892607759077551e-08 3.102222028275884e-08 ] [ 1.241751641099013e-08 2.045463884216196e-08 -2.61419811633953e-08 ] [ 1.984485506659767e-08 -1.423796412176585e-08 -9.902196688890335e-09 ] [ -4.270939361356403e-09 5.077522817130423e-09 2.567710416946967e-09 ] [ -2.187727795410004e-08 -2.077937569011348e-08 2.484134491721322e-08 ] [ -3.144583882543394e-09 -2.284291460998606e-09 -5.285078101256788e-08 ] [ 3.232762797113532e-08 1.910790557133453e-08 2.623808756777633e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -29.903272 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.791032328382326e-18 } }