{ "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" [ [ 4.5354709 -1.5714433 3.3300522 ] [ -0.5215521 -0.1858443 1.6227115 ] [ 1.8129138 -3.6502482 1.7618624 ] [ 1.453683 0.6959898 2.0650221 ] [ -0.1047088 0.3980061 -1.7965303 ] [ -1.7253453 1.6867438 -5.1456997 ] [ -1.5876842 -0.2889972 0.6587872 ] [ -3.8627773 2.9157933 -2.4962054 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.266625440298734e-09 -2.517729716172801e-09 5.335331780883606e-09 ] [ -8.356185811491436e-10 -2.977553925689414e-10 2.599870427603299e-09 ] [ 2.904608105885687e-09 -5.848342326157283e-09 2.822814746346578e-09 ] [ 2.329056916654407e-09 1.115098585875268e-09 3.30853013005532e-09 ] [ -1.677619913520231e-10 6.376760683557869e-10 -2.87835884521881e-09 ] [ -2.764307902467163e-09 2.702461481639351e-09 -8.244319756997574e-09 ] [ -2.543750506453552e-09 -4.630245573166618e-10 1.055493449922294e-09 ] [ -6.188851481416948e-09 4.671615856345281e-09 -3.999361932594712e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -39.968833 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.403712979325952e-18 } }