{ "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" [ 5.46438 0 0 ] "si-unit" "m" "si-value" [ 5.46438e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0372754 5.43203 0 ] "si-unit" "m" "si-value" [ 3.72754e-12 5.432030000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.17857 -0.0223871 5.50346 ] "si-unit" "m" "si-value" [ 1.7857e-11 -2.23871e-12 5.503459999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00726127 0.010583 0.00336114 ] [ 1.28417 1.2786 1.26313 ] [ 0.0794421 2.71348 2.73185 ] [ 1.57701 4.05847 4.12903 ] [ 2.78941 -0.159624 2.68623 ] [ 4.22148 1.3448 3.91745 ] [ 2.73822 2.68922 0.00939316 ] [ 4.14349 4.04668 1.21083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.26127e-13 1.0583e-12 3.36114e-13 ] [ 1.28417e-10 1.2786e-10 1.26313e-10 ] [ 7.944210000000001e-12 2.71348e-10 2.73185e-10 ] [ 1.57701e-10 4.05847e-10 4.12903e-10 ] [ 2.78941e-10 -1.59624e-11 2.68623e-10 ] [ 4.22148e-10 1.3448e-10 3.91745e-10 ] [ 2.73822e-10 2.68922e-10 9.39316e-13 ] [ 4.14349e-10 4.04668e-10 1.21083e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1313616 -0.3702041 -2.1101029 ] [ 1.7673987 0.9144119 1.7349813 ] [ 0.4780495 0.5287801 -0.9801858 ] [ -0.8674655 -0.8669321 0.1488604 ] [ 0.2363549 1.6969508 -0.6603767 ] [ -0.537419 -0.93031 1.6979562 ] [ -0.2740061 -0.5423974 -1.2035971 ] [ 0.3284489 -0.4302992 1.3724645 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.812641105190881e-09 -5.931323539443052e-10 -3.38075753386228e-09 ] [ 2.831684876772313e-09 1.465049367961308e-09 2.779746476385191e-09 ] [ 7.659197324851296e-10 8.471991137642861e-10 -1.570430772800145e-09 ] [ -1.389832943450582e-09 -1.388978342441048e-09 2.385006526429364e-10 ] [ 3.78682294991522e-10 2.718814898407856e-09 -1.058040109661056e-09 ] [ -8.610401573737151e-10 -1.490520932096448e-09 2.720425726782409e-09 ] [ -4.390061673765868e-10 -8.69016433462706e-10 -1.92837513448268e-09 ] [ 5.262331487074772e-10 -6.894153181889434e-10 2.198930534777962e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.321825 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.819397883978896e-18 } }