{ "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" [ [ -1.3291054 0.3046446 -0.24630519999999995 ] [ -0.5505392 0.4328608 -1.2123821999999997 ] [ -0.8933655 0.0417112 -0.3666171999999999 ] [ 1.0187337 0.2446988 0.4066823999999999 ] [ -0.4363654 -1.5490319 0.3813884999999999 ] [ 0.7582195 0.7892486 1.7322619999999995 ] [ -0.7243833 -1.6970241 -2.2898510999999995 ] [ 2.1568055 1.4328922 1.5948227999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.129461598459032e-09 4.880944557729677e-10 -3.946244330214681e-10 ] [ -8.820610350739354e-10 6.935194538207846e-10 -1.942450416314069e-09 ] [ -1.431329317929303e-09 6.682870946551296e-11 -5.873855066231577e-10 ] [ 1.632191316961081e-09 3.92050696497815e-10 6.515770333708337e-10 ] [ -6.991344420060403e-10 -2.481822695053404e-09 6.110517381419807e-10 ] [ 1.214801556334666e-09 1.264515654919131e-09 2.775389677500249e-09 ] [ -1.160589987757953e-09 -2.718932337954161e-09 -3.668745897533162e-09 ] [ 3.455583347712854e-09 2.295746382966678e-09 2.555187804478793e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.873776 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.504565251581614e-18 } }