{ "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" [ [ -3.0196479 4.3464087 2.290345 ] [ 0.2965824 -0.777652 -0.2520011 ] [ -1.5060286 1.1018699 -1.2682218 ] [ 2.5406936 -4.1730253 -2.2470525 ] [ -0.1837074 1.0540988 -2.0479018 ] [ 1.3541923 -1.4673969 1.8705132 ] [ 0.0442601 1.3383495 1.2063102 ] [ 0.4736555 -1.4226528 0.4480088 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.838009268427816e-09 6.96371440358172e-09 3.669537212566176e-09 ] [ 4.751773874207539e-10 -1.245935853518362e-09 -4.037502708358829e-10 ] [ -2.412923813176155e-09 1.765390192943234e-09 -2.031915317948894e-09 ] [ 4.070639886536187e-09 -6.685923573666906e-09 -3.600174981210192e-09 ] [ -2.943317013479539e-10 1.688852453373335e-09 -3.281100385654238e-09 ] [ 2.16965524312738e-09 -2.351029006614395e-09 2.996892517937795e-09 ] [ 7.091249745427007e-11 2.14427227935937e-09 1.932721999872573e-09 ] [ 7.588797684133344e-10 -2.279341055675658e-09 7.17789225272663e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -26.11293 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.183752594658694e-18 } }