{ "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" [ 5.21631 0 0 ] "si-unit" "m" "si-value" [ 5.21631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.340777 5.491 0 ] "si-unit" "m" "si-value" [ 3.40777e-11 5.491e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0764414 0.261433 5.31631 ] "si-unit" "m" "si-value" [ 7.644140000000001e-12 2.61433e-11 5.31631e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.102562 0.0713388 -0.561849 ] [ 1.48031 1.58239 0.779774 ] [ 0.554166 2.97803 2.26105 ] [ 1.29704 4.12978 3.93608 ] [ 3.06699 -0.246774 2.56051 ] [ 4.28292 1.50929 4.5131 ] [ 2.82838 2.54855 -0.698649 ] [ 4.65405 4.12903 1.02077 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.02562e-11 7.133879999999999e-12 -5.61849e-11 ] [ 1.48031e-10 1.58239e-10 7.79774e-11 ] [ 5.541660000000001e-11 2.97803e-10 2.26105e-10 ] [ 1.29704e-10 4.12978e-10 3.93608e-10 ] [ 3.06699e-10 -2.46774e-11 2.56051e-10 ] [ 4.28292e-10 1.50929e-10 4.5131e-10 ] [ 2.82838e-10 2.54855e-10 -6.98649e-11 ] [ 4.65405e-10 4.12903e-10 1.02077e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 47.4975322 -60.1971325 25.0394041 ] [ -3.3729561 -3.3881257 0.8715584 ] [ 4.1000063 -12.0556313 9.4305379 ] [ -0.9499125 4.7532949 -6.9470045 ] [ -1.9264547 2.1232223 2.4867725 ] [ -23.7953057 51.661491 -35.3676026 ] [ -10.3828408 13.1455264 13.2638816 ] [ -11.1700686 3.9573548 -8.7775474 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.60994356365352e-08 -9.644643833069986e-08 4.011754784778366e-08 ] [ -5.404071406404747e-09 -5.428375784871634e-09 1.396390492141855e-09 ] [ 6.568934238992712e-09 -1.931525061784471e-08 1.510938734494833e-08 ] [ -1.52192759930568e-09 7.615617960547875e-09 -1.113032819449239e-08 ] [ -3.086520681370278e-09 3.401777129821204e-09 3.984248760748368e-09 ] [ -3.812428247732898e-08 8.277083307586961e-08 -5.666514601946529e-08 ] [ -1.663514478724837e-08 2.106145506618919e-08 2.12510810005793e-08 ] [ -1.789642276365219e-08 6.34038134077066e-09 -1.406318123224382e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 53.097711 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.507191118219498e-18 } }