{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1564109 4.6949468 5.3954084 ] [ 1.0248525 -1.8958257 -1.1824751 ] [ -3.2068328 0.9632043 -0.6706884 ] [ 5.371121 -4.5743709 -2.4953981 ] [ -3.0855709 2.5917177 -2.8370461 ] [ 5.8006374 -2.9535095 -1.694138 ] [ -7.2153851 0.0487688 2.1433092 ] [ 6.4675887 1.1250685 1.3410282 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.261480991218286e-09 7.522133998859774e-09 8.644397198147935e-09 ] [ 1.641994715268432e-09 -3.037447613651795e-09 -1.894533959898142e-09 ] [ -5.137912538974603e-09 1.54322341051403e-09 -1.074561274321759e-09 ] [ 8.605484493687916e-09 -7.328950110847855e-09 -3.998068495408741e-09 ] [ -4.943629557800815e-09 4.152389506653548e-09 -4.545448933551818e-09 ] [ 9.293645628018098e-09 -4.732043870210698e-09 -2.714308296008871e-09 ] [ -1.156032131728867e-08 7.813623118447105e-11 3.433959891385552e-09 ] [ 1.036221940809027e-08 1.802558447498525e-09 2.148564029873507e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.10933 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.061652176515206e-18 } }