{ "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" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 16.509559799999998 -14.686442599999998 26.918213499999997 ] [ -3.5849093999999995 -2.1190598999999994 1.0149302999999998 ] [ -2.2975776999999997 -14.824612999999998 -3.3601503999999998 ] [ 12.158507999999998 2.7377877999999995 5.859958699999999 ] [ -2.8065224999999994 5.3449656999999995 3.3398729999999994 ] [ -20.655083599999998 19.764038499999998 -18.511798599999995 ] [ -0.11374769999999998 -1.4998222999999997 -4.501801099999999 ] [ 0.7897731999999998 5.283145799999999 -10.759225299999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.645123073125952e-08 -2.353027497644116e-08 4.312773234340293e-08 ] [ -5.743658028366155e-09 -3.395108229854785e-09 1.62609759840153e-09 ] [ -3.681125275411436e-09 -2.375164836100775e-08 -5.383554413251768e-09 ] [ 1.948007726140976e-08 4.386419605871466e-09 9.38868882799356e-09 ] [ -4.496544735249167e-09 8.563579083517906e-09 5.351066437041158e-09 ] [ -3.30930920445895e-08 3.16654804172911e-08 -2.965917092587816e-08 ] [ -1.822439056097721e-10 -2.402980224414483e-09 -7.212680473911722e-09 ] [ 1.265356156774402e-09 8.464532685037712e-09 -1.723817923357987e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -26.520699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.249084390507394e-18 } }