{ "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" [ 5.51396 0 0 ] "si-unit" "m" "si-value" [ 5.51396e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0181329 5.46551 0 ] "si-unit" "m" "si-value" [ 1.81329e-12 5.46551e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.147171 -0.00272143 5.46493 ] "si-unit" "m" "si-value" [ 1.47171e-11 -2.72143e-13 5.46493e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0812176 -0.117418 -0.0378641 ] [ 1.41633 1.35692 1.32004 ] [ 0.0825096 2.73802 2.72856 ] [ 1.5042 4.09281 4.08646 ] [ 2.79856 -0.0135645 2.62504 ] [ 4.22175 1.43085 4.07963 ] [ 2.7526 2.68069 -0.168753 ] [ 4.2604 4.00574 1.18537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.12176e-12 -1.17418e-11 -3.78641e-12 ] [ 1.41633e-10 1.35692e-10 1.32004e-10 ] [ 8.25096e-12 2.73802e-10 2.72856e-10 ] [ 1.5042e-10 4.09281e-10 4.08646e-10 ] [ 2.79856e-10 -1.35645e-12 2.62504e-10 ] [ 4.22175e-10 1.43085e-10 4.07963e-10 ] [ 2.7526e-10 2.68069e-10 -1.68753e-11 ] [ 4.2604e-10 4.00574e-10 1.18537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.488355 1.6869186 -2.1748413 ] [ 0.603878 0.7716492 0.3089297 ] [ 0.0790922 0.0037148 -0.7590439 ] [ 0.1151895 0.0743411 -0.8073668 ] [ 0.7797747 -0.3672013 0.2121714 ] [ 1.1007436 -2.4639555 -1.3009534 ] [ -1.0047837 1.0782996 2.1145784 ] [ -2.1622494 -0.7837665 2.4065259 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.824309700970699e-10 2.702741564379992e-09 -3.484479913518184e-09 ] [ 9.675192213866519e-10 1.236318317884793e-09 4.949599468886297e-10 ] [ 1.267196747716548e-10 5.951765759983199e-12 -1.216122400760232e-09 ] [ 1.84553925382143e-10 1.191075733658574e-10 -1.293544222027351e-09 ] [ 1.24933680412436e-09 -5.883213428344242e-10 3.399360594830676e-10 ] [ 1.763585675945042e-09 -3.947691929315787e-09 -2.084357139402856e-09 ] [ -1.609840966364065e-09 1.727626423571546e-09 3.387928103241106e-09 ] [ -3.464305465560519e-09 -1.255732372811961e-09 3.85567956609582e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.329813 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.500242423818944e-18 } }