{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5586875 0.5587934 -0.5315051 ] [ -0.2600102 -1.1080039 2.2226312 ] [ 0.1363672 0.6463182 -1.2718142 ] [ 1.2452747 -0.3236504 -0.9000686 ] [ 0.0086803 0.3415251 0.4371767 ] [ -1.5316832 -1.1489529 1.0833109 ] [ 0.1220249 -0.1599863 -3.1066638 ] [ 1.8380338 1.1939569 2.0669329 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.4972926716332e-09 8.952857213373427e-10 -8.515650450559659e-10 ] [ -4.165822636095322e-10 -1.775217944335221e-09 3.561047745300649e-09 ] [ 2.184843396839577e-10 1.035515909637538e-09 -2.037670977241456e-09 ] [ 1.995150010813734e-09 -5.185451041925684e-10 -1.442068868036187e-09 ] [ 1.390737372153024e-11 5.471835306363821e-10 7.004342878984952e-10 ] [ -2.454027013512131e-09 -1.840825474780361e-09 1.735655397037807e-09 ] [ 1.955054419354579e-10 -2.56326309508295e-10 -4.977424109045687e-09 ] [ 2.944854782600183e-09 1.912929831422844e-09 3.311591569142344e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.147504 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.791468580907448e-18 } }