{ "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" [ 5.33088 0 0 ] "si-unit" "m" "si-value" [ 5.33088e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0480326 5.46857 0 ] "si-unit" "m" "si-value" [ 4.80326e-12 5.46857e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109209 0.182969 5.33745 ] "si-unit" "m" "si-value" [ -1.09209e-11 1.82969e-11 5.33745e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0970486 -0.0788825 -0.10937 ] [ 1.39157 1.38931 1.26283 ] [ -0.0444574 2.82173 2.6602 ] [ 1.24826 4.17435 3.90061 ] [ 2.67605 0.0682538 2.80056 ] [ 3.9766 1.50429 4.31462 ] [ 2.81042 2.80539 0.0255717 ] [ 4.1826 4.03217 1.44291 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.70486e-12 -7.88825e-12 -1.0937e-11 ] [ 1.39157e-10 1.38931e-10 1.26283e-10 ] [ -4.44574e-12 2.82173e-10 2.6602e-10 ] [ 1.24826e-10 4.17435e-10 3.90061e-10 ] [ 2.67605e-10 6.825380000000001e-12 2.80056e-10 ] [ 3.9766e-10 1.50429e-10 4.31462e-10 ] [ 2.81042e-10 2.80539e-10 2.55717e-12 ] [ 4.1826e-10 4.03217e-10 1.44291e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.8398572 -1.3455299 1.1385385 ] [ -0.6671205 -1.1996336 0.0408962 ] [ 0.8382617 -4.8508818 0.7556188 ] [ 0.3902637 0.1846256 0.6496336 ] [ 1.326643 1.3369029 -1.0496963 ] [ -0.8868968 1.1436435 -2.2895776 ] [ -1.8941123 2.0486913 0.3456119 ] [ -1.946896 2.682182 0.408975 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.54995281225055e-09 -2.155776548367362e-09 1.824139766580701e-09 ] [ -1.068844868356406e-09 -1.922024907446139e-09 6.552293551956096e-11 ] [ 1.343043297852063e-09 -7.771969410224222e-09 1.210634775596951e-09 ] [ 6.25271376086905e-10 2.958028199211725e-10 1.040827766006139e-09 ] [ 2.125516398747974e-09 2.14195457065972e-09 -1.681798870800263e-09 ] [ -1.420965318022334e-09 1.832318878229885e-09 -3.668307702227374e-09 ] [ -3.034702444229716e-09 3.28236530409636e-09 5.537313060502676e-10 ] [ -3.119271254329037e-09 4.297329293130585e-09 6.5525018349168e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -219.86566 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.522636201687617e-17 } }