{ "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" [ 5.47211 0 0 ] "si-unit" "m" "si-value" [ 5.47211e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.102197 5.35978 0 ] "si-unit" "m" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0185088 0.0167086 5.27242 ] "si-unit" "m" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8082146 -0.7082755 -0.7832362 ] [ 2.0418241 0.8934342 0.8572634 ] [ -1.9175865 2.3109159 -2.3352601 ] [ -0.4429127 0.1649998 0.6165111 ] [ -0.7092862 -0.6356871 -2.7828186 ] [ 1.2095875 -0.1014377 -1.0456404 ] [ -0.6836823 0.0789805 3.4728615 ] [ 1.3102707 -2.0029299 2.0003193 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.294902536709224e-09 -1.13478244718543e-09 -1.254882728204233e-09 ] [ 3.271362836806001e-09 1.431439387463151e-09 1.373487377347519e-09 ] [ -3.072312258661699e-09 3.702495427614991e-09 -3.741499135707071e-09 ] [ -7.096243729954041e-10 2.643588219966759e-10 9.87759670883691e-10 ] [ -1.136401767096073e-09 -1.018483009764152e-09 -4.458566900847387e-09 ] [ 1.93797281331192e-09 -1.625211114077242e-10 -1.67530060264396e-09 ] [ -1.095379797114772e-09 1.265407105990944e-10 5.56413750257642e-09 ] [ 2.099285082459251e-09 -3.209047458881282e-09 3.204864816595021e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.757139 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.72892521324959e-18 } }