{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0463987 1.5691143 0.9845268999999998 ] [ -1.2373702 -0.2877337 -1.7794892999999996 ] [ -1.6159075 1.2416056 0.4511954999999999 ] [ 1.1312889 -0.3117693 -1.0637814999999997 ] [ 0.6843693 -1.7944205 1.3275384999999997 ] [ 0.4661627 0.374058 2.4190722999999994 ] [ -1.1290342 -1.5880414 -2.3094982999999996 ] [ 2.7468896 0.797187 -0.029564099999999992 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.676515533175513e-09 2.513998246822958e-09 1.577385981728699e-09 ] [ -1.98248560571462e-09 -4.61000207156281e-10 -2.851056153423757e-09 ] [ -2.588969217875376e-09 1.989271464574356e-09 7.228948815101663e-10 ] [ 1.812524626950549e-09 -4.995094835431815e-10 -1.704365848939555e-09 ] [ 1.096480492453261e-09 -2.874978572984246e-09 2.1269511479119e-09 ] [ 7.468749794290041e-10 5.993069824232064e-10 3.875781083084883e-09 ] [ -1.808912199323631e-09 -2.544322803942501e-09 -3.700224182037344e-09 ] [ 4.401002297038664e-09 1.27723437380569e-09 -4.736690983499327e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -215.61373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.454512773294836e-17 } }