{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3110867 1.3708611 -1.7972711 ] [ -0.8399829 -0.1900554 -0.5870751 ] [ -1.0862587 -0.6132273 -1.9655882 ] [ -0.2396905 2.4261534 2.3540237 ] [ 0.8151518 -1.2576385 0.9762634 ] [ 0.7665306 -1.5299979 -1.0267565 ] [ -1.0577748 0.2062347 -0.5725958 ] [ -0.6690623 -0.41233 2.6189997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.702769109888168e-09 2.196361622879537e-09 -2.879545761383477e-09 ] [ -1.345800975339558e-09 -3.045023210455235e-10 -9.405980076232132e-10 ] [ -1.740378307619215e-09 -9.824984513909081e-10 -3.149219486106119e-09 ] [ -3.84026518491777e-10 3.887126287979655e-09 3.771561768022226e-09 ] [ 1.306017167123041e-09 -2.014959018718809e-09 1.564146408109396e-09 ] [ 1.228117416566e-09 -2.451326885449068e-09 -1.645045273107621e-09 ] [ -1.694742068594023e-09 3.304244174599997e-10 -9.173996114865371e-10 ] [ -1.071955983750298e-09 -6.606254914972199e-10 4.196100123793009e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.487596 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.685739710803186e-18 } }