{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4804933000000002 0.6217856000000002 -2.5852106000000004 ] [ 2.1925101000000002 -0.8478810000000002 -1.5071550000000005 ] [ -0.8977273000000002 -0.16269030000000004 2.9689392000000003 ] [ -0.35424720000000004 1.5995857000000004 -0.10044850000000002 ] [ -7.559202800000002 -9.829308200000002 -8.752987600000003 ] [ 8.078832900000002 9.501729300000001 8.476068400000003 ] [ 1.0063908000000001 -1.0509691000000003 0.13001380000000004 ] [ -3.947049700000001 0.16774810000000004 1.3707803000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.372011752511041e-09 9.962103514701007e-10 -4.141963983164341e-09 ] [ 3.512788423087871e-09 -1.358455115420525e-09 -2.414728504921825e-09 ] [ -1.438317691913908e-09 -2.606585950909383e-10 4.756764974816655e-09 ] [ -5.675665818238618e-10 2.562818811506003e-09 -1.609362382944288e-10 ] [ -1.21111779980459e-08 -1.574828779667773e-08 -1.402383209487231e-08 ] [ 1.294371719572987e-08 1.522344854163035e-08 1.358015862678167e-08 ] [ 1.612415811148209e-09 -1.683838121203218e-09 2.083050707413671e-10 ] [ -6.323870750475656e-09 2.687620840036206e-10 2.196232148913211e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.489623 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.525846763080597e-18 } }