{ "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" [ 5.52208 0 0 ] "si-unit" "m" "si-value" [ 5.52208e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968577 5.45697 0 ] "si-unit" "m" "si-value" [ -9.68577e-12 5.456970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.137264 0.147448 5.57607 ] "si-unit" "m" "si-value" [ 1.37264e-11 1.47448e-11 5.57607e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0138032 0.0341723 -0.113332 ] [ 1.31844 1.45238 1.31404 ] [ 0.0088982 2.79356 2.65987 ] [ 1.44046 4.10222 4.12461 ] [ 2.80067 0.127474 2.69388 ] [ 4.04292 1.57371 4.10996 ] [ 2.66616 2.79739 -0.110182 ] [ 4.02446 4.16186 1.2374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.38032e-12 3.41723e-12 -1.13332e-11 ] [ 1.31844e-10 1.45238e-10 1.31404e-10 ] [ 8.8982e-13 2.79356e-10 2.65987e-10 ] [ 1.44046e-10 4.10222e-10 4.12461e-10 ] [ 2.80067e-10 1.27474e-11 2.69388e-10 ] [ 4.04292e-10 1.57371e-10 4.10996e-10 ] [ 2.66616e-10 2.79739e-10 -1.10182e-11 ] [ 4.024460000000001e-10 4.16186e-10 1.2374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0529764 0.3817415 -0.7755513 ] [ 0.7355531 -1.1066453 -0.6501805 ] [ -1.1371692 1.2616296 0.8209518 ] [ -2.4498632 2.4889744 -1.8556292 ] [ -0.3428146 -0.4303529 -0.2772123 ] [ 2.1284105 -1.3625418 -0.5908043 ] [ 0.7082257 -1.0196266 2.0995686 ] [ 0.3046812 -0.213179 1.2288572 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.48775502334376e-11 6.116173115281109e-10 -1.242570171328324e-09 ] [ 1.178485989886265e-09 -1.77304124178592e-09 -1.041704004982437e-09 ] [ -1.821945921144473e-09 2.021353465882766e-09 1.315309791600241e-09 ] [ -3.925113575536469e-09 3.98777662630417e-09 -2.973045745608112e-09 ] [ -5.492495419140564e-10 -6.895013607541385e-10 -4.441430697173982e-10 ] [ 3.410089570660257e-09 -2.183032634808301e-09 -9.465728447267261e-10 ] [ 1.134702668138293e-09 -1.633621913924864e-09 3.363879752400092e-09 ] [ 4.881530994590807e-10 -3.41550412659486e-10 1.968846292362665e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.248018 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.807572746841141e-18 } }