{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.192541 0.2138943 -3.4920583 ] [ -2.4497232 -0.7616854 -1.4817539 ] [ -2.3731729 -0.1433535 -1.0870116 ] [ 0.4909552 3.406652 2.0591069 ] [ 1.3989545 -0.3684305 1.232601 ] [ 0.7851714 -2.4919502 -0.929181 ] [ -2.2623179 0.7850154 0.5153311 ] [ 0.217592 -0.6401421 3.1829659 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.717191227286993e-09 3.426964496057862e-10 -5.594894212825761e-09 ] [ -3.924889270807709e-09 -1.220354550338943e-09 -2.374031475918372e-09 ] [ -3.802242168822019e-09 -2.29677628102119e-10 -1.741584586406954e-09 ] [ 7.865969497807966e-10 5.458058234569367e-09 3.299052962088174e-09 ] [ 2.241372211929153e-09 -5.902907383529369e-10 1.974844521245034e-09 ] [ 1.257983270765068e-09 -3.992544383531626e-09 -1.488712086956754e-09 ] [ -3.624632878059949e-09 1.257733331210163e-09 8.256514471935173e-10 ] [ 3.48620818145328e-10 -1.025620715059691e-09 5.099673591798781e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -319.12452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.112938492804657e-17 } }