{ "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" [ 5.44038 0 0 ] "si-unit" "m" "si-value" [ 5.44038e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0177809 5.34742 0 ] "si-unit" "m" "si-value" [ 1.77809e-12 5.34742e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.258508 -0.216411 5.45927 ] "si-unit" "m" "si-value" [ 2.58508e-11 -2.16411e-11 5.459270000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0111666 -0.0485116 -0.0844937 ] [ 1.40892 1.32935 1.34318 ] [ 0.251238 2.67562 2.78628 ] [ 1.4893 4.10816 4.17197 ] [ 2.79244 -0.0558727 2.81547 ] [ 4.18247 1.3542 3.88471 ] [ 2.61313 2.71504 -0.144964 ] [ 4.08224 4.0407 1.29994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.11666e-12 -4.851160000000001e-12 -8.44937e-12 ] [ 1.40892e-10 1.32935e-10 1.34318e-10 ] [ 2.51238e-11 2.67562e-10 2.78628e-10 ] [ 1.4893e-10 4.10816e-10 4.17197e-10 ] [ 2.79244e-10 -5.58727e-12 2.81547e-10 ] [ 4.182470000000001e-10 1.3542e-10 3.88471e-10 ] [ 2.61313e-10 2.71504e-10 -1.44964e-11 ] [ 4.08224e-10 4.0407e-10 1.29994e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4247509 6.7809267 3.3668931 ] [ 0.4413173 -1.1134074 -0.3231223 ] [ -2.6361738 1.5983956 -2.2616427 ] [ 3.695264 -6.624068 -3.2728866 ] [ -0.1476004 1.9473681 -3.4054244 ] [ 1.9372624 -2.3578338 3.2345859 ] [ 0.291116 2.1153339 2.0132347 ] [ 0.8435653 -2.3467152 0.6483624 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.089232444843759e-09 1.086424222609849e-08 5.394357409552837e-09 ] [ 7.0706826041458e-10 -1.783875305705714e-09 -5.176989947191238e-10 ] [ -4.223616030725495e-09 2.560912061109588e-09 -3.623551058542988e-09 ] [ 5.920465588483891e-09 -1.061292688418942e-08 -5.243742393049601e-09 ] [ -2.364819101007283e-10 3.120027641911716e-09 -5.456091357581868e-09 ] [ 3.103836525634898e-09 -3.777666190092023e-09 5.182377906949327e-09 ] [ 4.664192491408128e-10 3.389138519765685e-09 3.225557568523302e-09 ] [ 1.351540601778138e-09 -3.759852229115996e-09 1.038791079085778e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.748946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.086741901624168e-18 } }