{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.5825123 2.151394 4.6846151 ] [ 0.2498063 0.0590328 -0.9609859 ] [ 2.1356947 -1.9434074 0.4230967 ] [ 9.1173368 -8.9407299 -3.7786608 ] [ -5.6439338 4.4688639 4.4291296 ] [ -4.6581143 5.3161262 0.3702264 ] [ -0.6602217 0.5955135 -0.8589932 ] [ 4.0419443 -1.7067931 -4.3084279 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.341994132077598e-09 3.446913197327795e-09 7.505580852503572e-09 ] [ 4.002338168859941e-10 9.45809727995952e-11 -1.53966915458346e-09 ] [ 3.42176014569764e-09 -3.113681926622691e-09 6.778756466625077e-10 ] [ 1.460758398526833e-08 -1.432462853668515e-08 -6.054082041571746e-09 ] [ -9.042578858202828e-09 7.159909321106112e-09 7.096247954077766e-09 ] [ -7.463121889961266e-09 8.51737318103521e-09 5.931680873699375e-10 ] [ -1.057791780999758e-09 9.54117814931559e-10 -1.376258833804889e-09 ] [ 6.475908713389486e-09 -2.734584023892425e-09 -6.902862510653687e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.164182 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.473705412012338e-18 } }