{ "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" [ 5.44445 0 0 ] "si-unit" "m" "si-value" [ 5.44445e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.167308 5.39053 0 ] "si-unit" "m" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00577721 0.0671422 5.23553 ] "si-unit" "m" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.026414 -0.9393488 4.0929304 ] [ -1.4240471 2.3459739 -4.0863222 ] [ -0.3132449 0.1969271 2.4539062 ] [ -2.834558 2.6897124 -6.9282301 ] [ 0.2952604 -2.3213752 3.3972056 ] [ 0.3973643 1.3680128 -3.3809574 ] [ 2.4691033 -5.461291 4.7725416 ] [ 1.3837082 2.1213889 -0.3210741 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.23198932618112e-11 -1.505002686136535e-09 6.557597397441593e-09 ] [ -2.28157497053804e-09 3.758664535586998e-09 -6.547009893896021e-09 ] [ -5.018736553648339e-10 3.155119956219437e-10 3.931591143276169e-09 ] [ -4.541462557901607e-09 4.309394323955858e-09 -1.110024828974285e-08 ] [ 4.730593099280563e-10 -3.719253073544924e-09 5.442923388370836e-09 ] [ 6.366477914005574e-10 2.191798125115146e-09 -5.416890902200754e-09 ] [ 3.955939581600129e-09 -8.749952759585455e-09 7.646454573315427e-09 ] [ 2.216944928049251e-09 3.398839699204629e-09 -5.144174165644012e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -31.811504 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.096764798128568e-18 } }