{ "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" [ 5.40836 0 0 ] "si-unit" "m" "si-value" [ 5.40836e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0676972 5.56169 0 ] "si-unit" "m" "si-value" [ 6.76972e-12 5.561689999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0290382 0.0456166 5.46301 ] "si-unit" "m" "si-value" [ 2.90382e-12 4.56166e-12 5.46301e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.160852 -0.0174641 0.0414383 ] [ 1.3693 1.3835 1.35672 ] [ 0.168786 2.76991 2.61562 ] [ 1.32577 4.00891 4.07743 ] [ 2.71647 0.0672876 2.67609 ] [ 4.01486 1.47906 4.19059 ] [ 2.74225 2.69331 -0.0428987 ] [ 4.04746 4.06755 1.1226 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.60852e-11 -1.74641e-12 4.14383e-12 ] [ 1.3693e-10 1.3835e-10 1.35672e-10 ] [ 1.68786e-11 2.76991e-10 2.61562e-10 ] [ 1.32577e-10 4.008910000000001e-10 4.07743e-10 ] [ 2.71647e-10 6.728760000000001e-12 2.67609e-10 ] [ 4.01486e-10 1.47906e-10 4.19059e-10 ] [ 2.74225e-10 2.69331e-10 -4.28987e-12 ] [ 4.04746e-10 4.06755e-10 1.1226e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2413861 -0.0548496 -0.3354214 ] [ -0.0063995 -0.2639352 0.0568865 ] [ -0.8841336 0.1910673 0.1133159 ] [ 0.081803 0.6685859 -0.2575833 ] [ 0.5804682 -0.6262427 0.4227629 ] [ 0.6640122 -0.7333482 -0.7331804 ] [ -0.2827236 0.2443021 0.1079163 ] [ 0.0883594 0.5744203 0.6253035 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.867431660060909e-10 -8.787874678023167e-11 -5.374043251960051e-10 ] [ -1.02531292848096e-11 -4.228708068461721e-10 9.11422203391392e-11 ] [ -1.416538183583739e-09 3.061235610593798e-10 1.815520857449107e-10 ] [ 1.310628541113024e-10 1.071192697976527e-09 -4.126939411685126e-10 ] [ 9.300125791578586e-10 -1.003351412886668e-09 6.773408345216083e-10 ] [ 1.063864822765974e-09 -1.174953340945763e-09 -1.174684495708792e-09 ] [ -4.529731420684109e-10 3.914151130323436e-10 1.729009728632391e-10 ] [ 1.415673649079155e-10 9.203227751729222e-10 1.001846648604413e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 146.94536 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.354324203270395e-17 } }