{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.2045032 0.2182993 -0.8546976999999999 ] [ -0.4117423 -0.8272684 0.39358309999999996 ] [ 0.4364013 0.3331544 1.2395627999999999 ] [ -2.1386734 -1.7028579 2.1059903999999996 ] [ 0.9867343 2.2390535 -0.5942493999999999 ] [ -1.1363385 0.4448551 -1.2376675999999998 ] [ -0.3529766 -0.3455011 -2.0437200999999994 ] [ -0.587908 -0.359735 0.9911984999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.134180108318787e-09 3.497540347970054e-10 -1.369376672791532e-09 ] [ -6.596838868544198e-10 -1.325430089606623e-09 6.305896411619884e-10 ] [ 6.99191960146727e-10 5.337721907966516e-10 1.985998538173386e-09 ] [ -3.426532521006847e-09 -2.728279115924584e-09 3.37416858250924e-09 ] [ 1.580922626401453e-09 3.587359170420413e-09 -9.520924956044275e-10 ] [ -1.820614978014941e-09 7.127364408636461e-10 -1.982962093041646e-09 ] [ -5.655308562094733e-10 -5.535537848806829e-10 -3.274400563679037e-09 ] [ -9.419324527812863e-10 -5.76359006683488e-10 1.588075063272029e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.574973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.456691733499124e-18 } }