{ "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" [ 5.4 0 0 ] "si-unit" "m" "si-value" [ 5.400000000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.386566 5.8038 0 ] "si-unit" "m" "si-value" [ 3.86566e-11 5.8038e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.433064 -0.220286 5.20849 ] "si-unit" "m" "si-value" [ -4.33064e-11 -2.20286e-11 5.20849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0990081 -0.244555 -0.290689 ] [ 1.37678 1.31208 1.41317 ] [ 0.146167 2.66383 2.23753 ] [ 1.10278 3.83154 3.71513 ] [ 2.55958 0.422069 2.77183 ] [ 3.95966 1.45431 4.3569 ] [ 2.78855 2.68274 0.381413 ] [ 4.33575 3.68618 1.46711 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.90081e-12 -2.44555e-11 -2.90689e-11 ] [ 1.37678e-10 1.31208e-10 1.41317e-10 ] [ 1.46167e-11 2.66383e-10 2.23753e-10 ] [ 1.10278e-10 3.83154e-10 3.71513e-10 ] [ 2.55958e-10 4.22069e-11 2.77183e-10 ] [ 3.95966e-10 1.45431e-10 4.356900000000001e-10 ] [ 2.78855e-10 2.68274e-10 3.81413e-11 ] [ 4.33575e-10 3.68618e-10 1.46711e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5441482000000001 -1.9578491000000005 2.3051550000000005 ] [ -1.3098722000000003 -2.7384240000000006 -8.539458400000001 ] [ 10.077732900000003 -12.010353000000004 12.465174700000004 ] [ 3.5478661000000007 2.5629950000000004 3.206254800000001 ] [ 4.5700362000000005 -5.257754000000001 5.706493100000001 ] [ -0.08851690000000001 1.3131931000000001 -2.4002741000000003 ] [ -2.0185357000000006 0.35334550000000003 -2.6023825000000005 ] [ -15.322858500000004 17.734846400000002 -10.140962600000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.718215242904028e-10 -3.136820055074322e-09 3.693265448320225e-09 ] [ -2.098646615075862e-09 -4.38743891063762e-09 -1.368172060277418e-08 ] [ 1.614630804304699e-08 -1.924270678415515e-08 1.997141147852766e-08 ] [ 5.684308119148876e-09 4.106370668227297e-09 5.136986480887781e-09 ] [ 7.322005155849674e-09 -8.423850536717686e-09 9.14280983157652e-09 ] [ -1.418197077256915e-10 2.103967283415877e-09 -3.845663046531762e-09 ] [ -3.234050706790163e-09 5.661218991648865e-10 -4.169476399879057e-09 ] [ -2.454992565252657e-08 2.841435627555905e-08 -1.624761319012719e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -20.181712 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.233466713411881e-18 } }