{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43079e-10 0.0 0.0 ] "source-value" [ 5.43079 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] "source-value" [ -0.0839771 5.43297 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] "source-value" [ 0.0398452 0.0785902 5.46584 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.942788775847662e-09 2.608309412300377e-09 -5.468602594596033e-09 ] [ -1.680616624671775e-09 5.798091338187187e-10 1.344885320312997e-09 ] [ -8.793560802850389e-10 -1.352655396270891e-09 -3.518710388313672e-09 ] [ -3.548389748908019e-09 -2.602507289885812e-09 7.99866810944302e-09 ] [ 7.737505149151855e-09 3.992483948579281e-09 -4.853676312731971e-09 ] [ -7.101220090538247e-10 -3.754277135128599e-09 -7.771710178046977e-11 ] [ -1.261939995783533e-10 2.093469822196395e-09 -2.372245189644691e-10 ] [ -3.735615302284844e-09 -1.564632335391807e-09 4.812377326412934e-09 ] ] "source-value" [ [ 1.8367443 1.6279787 -3.4132333 ] [ -1.0489584 0.3618884 0.8394114 ] [ -0.5488509 -0.8442611 -2.1962063 ] [ -2.2147307 -1.6243573 4.992376 ] [ 4.8293709 2.4919125 -3.0294265 ] [ -0.4432233 -2.3432355 -0.0485072 ] [ -0.0787641 1.3066411 -0.1480639 ] [ -2.3315877 -0.9765667 3.0036497 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.690078678684011e-18 "source-value" -35.514678 } }