{ "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" [ [ 5.671546 0.7249371 -1.5540975999999997 ] [ -0.8369586 -1.341611 0.9482956999999999 ] [ 0.9421093 0.8405905 2.0738305999999995 ] [ -3.5380291 -3.1514322 3.4631701999999995 ] [ 1.498753 3.9382209 -0.9152504999999999 ] [ -2.0421858 0.3866624 -1.9592564999999997 ] [ -0.4084034 -0.5943295 -3.6810464999999994 ] [ -1.2868315 -0.8030383 1.6243545999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.086818404991758e-09 1.161477273170552e-09 -2.48993884116139e-09 ] [ -1.340955501497499e-09 -2.149497778408109e-09 1.51933720014517e-09 ] [ 1.509425494698254e-09 1.346774446766582e-09 3.322642902819635e-09 ] [ -5.668547507730066e-09 -5.049150992876309e-09 5.548610328291259e-09 ] [ 2.401267016953863e-09 6.309725453525935e-09 -1.46639295327551e-09 ] [ -3.271942344089745e-09 6.195014574224179e-10 -3.139074958450435e-09 ] [ -6.543343793352307e-10 -9.522208299517535e-10 -5.897686642377667e-09 ] [ -2.061731344208995e-09 -1.286609189866977e-09 2.602502964008935e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.988575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.605787686010736e-18 } }