{ "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" [ 5.42981 0 0 ] "si-unit" "m" "si-value" [ 5.42981e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0370196 5.47054 0 ] "si-unit" "m" "si-value" [ 3.70196e-12 5.47054e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0339139 -0.0143321 5.52419 ] "si-unit" "m" "si-value" [ -3.39139e-12 -1.43321e-12 5.52419e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0865271 0.0202603 -0.0485063 ] [ 1.27669 1.31148 1.22292 ] [ -0.0137625 2.6467 2.79128 ] [ 1.29807 4.01993 4.311 ] [ 2.70854 -0.0697941 2.82717 ] [ 4.06866 1.27154 4.01384 ] [ 2.71531 2.7055 0.0603487 ] [ 4.06455 4.01651 1.33765 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.65271e-12 2.02603e-12 -4.850630000000001e-12 ] [ 1.27669e-10 1.31148e-10 1.22292e-10 ] [ -1.37625e-12 2.6467e-10 2.79128e-10 ] [ 1.29807e-10 4.019929999999999e-10 4.311e-10 ] [ 2.70854e-10 -6.97941e-12 2.82717e-10 ] [ 4.06866e-10 1.27154e-10 4.01384e-10 ] [ 2.71531e-10 2.7055e-10 6.03487e-12 ] [ 4.06455e-10 4.016510000000001e-10 1.33765e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6197381 -0.3054332 0.2014834 ] [ 0.7425007 0.1720207 1.6027534 ] [ 0.7450679 0.6727524 -0.2618792 ] [ 0.3234078 -0.4143478 -1.3892087 ] [ -1.0840424 -0.5729863 -0.550583 ] [ -0.5604342 0.3602081 0.4436724 ] [ 0.9472016 -0.7066472 -0.3072086 ] [ 0.5060367 0.7944332 0.2609703 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.595106515639012e-09 -4.893579322561306e-10 3.228119929592948e-10 ] [ 1.189617262467635e-09 2.756075438336506e-10 2.567894026387711e-09 ] [ 1.193730370288552e-09 1.07786816686709e-09 -4.195767317138074e-10 ] [ 5.181564161443622e-10 -6.638583580399142e-10 -2.225757700551961e-09 ] [ -1.736827389235922e-09 -9.18025253898695e-10 -8.821312104099265e-10 ] [ -8.979145727367514e-10 5.771169964427884e-10 7.10841546574226e-10 ] [ 1.517584258704353e-09 -1.132173622993782e-09 -4.922024366286989e-10 ] [ 8.107601700067834e-10 1.27282229982733e-09 4.181205133831622e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 636.99992 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.02058637927547e-16 } }