{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8821843 0.6486436 0.0617555 ] [ 0.4903317 0.1020864 -1.2173129 ] [ -0.0581533 0.062303 -0.509601 ] [ 1.1064502 -0.4374246 0.7067266 ] [ -0.8385127 -0.1084453 -0.1158689 ] [ 0.4114213 -0.7650507 1.9686357 ] [ -0.1178457 0.9260926 0.9483382 ] [ -0.1115072 -0.4282051 -1.8426732 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.413415060696813e-09 1.039241611151547e-09 9.89432183058144e-11 ] [ 7.855979861771193e-10 1.635604433816371e-10 -1.950350268578248e-09 ] [ -9.317185768236863e-11 9.982041000570239e-11 -8.164708081363008e-10 ] [ 1.772728642519484e-09 -7.008314674827917e-10 1.132300835817473e-09 ] [ -1.343445444183884e-09 -1.737485242956422e-10 -1.856424426578131e-10 ] [ 6.59169588159143e-10 -1.225746345266675e-09 3.154102093412243e-09 ] [ -1.888096254018106e-10 1.483763912415886e-09 1.519405292651554e-09 ] [ -1.786542288908698e-10 -6.860602001273261e-10 -2.952287920814723e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.837234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.901975508973888e-18 } }