{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9008295000000002 0.38833250000000014 -1.5712083000000003 ] [ 1.3118100000000001 -0.6073298000000001 -1.0211953000000003 ] [ -0.5040859000000001 -0.028007900000000006 1.9081728000000004 ] [ -0.24961700000000006 1.0034960000000002 -0.09177300000000001 ] [ -2.8914334000000004 -4.763217900000001 -3.891236400000001 ] [ 3.363070800000001 4.3480474000000005 3.618998700000001 ] [ 0.7054217000000002 -0.5385967000000002 0.17573080000000002 ] [ -2.6359958000000003 0.19727630000000004 0.8725108000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.443287964226954e-09 6.221772525968161e-10 -2.517353204666913e-09 ] [ 2.101751312931648e-09 -9.7304960667514e-10 -1.636135234930843e-09 ] [ -8.076346438549269e-10 -4.487360257770433e-11 3.057229848606475e-09 ] [ -3.999305215542337e-10 1.607777830266317e-09 -1.470365550206784e-10 ] [ -4.632586994080255e-09 -7.631516359156074e-09 -6.234447986085958e-09 ] [ 5.388233409855154e-09 6.966339890410226e-09 5.798275107845595e-09 ] [ 1.130210155544992e-09 -8.629270407800316e-10 2.815517793144807e-10 ] [ -4.223330843286993e-09 3.160714756979271e-10 1.397916405155505e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.702314 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.720141279926054e-18 } }