{ "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" [ [ -0.515789 0.406096 0.1256862 ] [ 0.3025173 0.0517474 -0.9539269 ] [ 0.0188255 0.0263098 -0.4026314 ] [ 0.7869094 -0.2154604 0.5635365 ] [ -0.6731662 -0.1266158 -0.0691299 ] [ 0.1932184 -0.4684217 1.4595102 ] [ -0.0932133 0.5690943 0.6424303 ] [ -0.0193021 -0.2427496 -1.365475 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.263850770658114e-10 6.506375170003969e-10 2.01371491197193e-10 ] [ 4.846861454475399e-10 8.290847446718592e-11 -1.52835937713222e-09 ] [ 3.01617759748704e-11 4.215294645792385e-11 -6.450866158799731e-10 ] [ 1.260767843367755e-09 -3.452056155882163e-10 9.028850052674592e-10 ] [ -1.078531147552777e-09 -2.028608745838886e-10 -1.107583095782419e-10 ] [ 3.095700031883827e-10 -7.504942964153914e-10 2.338393120259132e-09 ] [ -1.493441700076166e-10 9.117895824905416e-10 1.02928680715353e-09 ] [ -3.092537335234368e-11 -3.889277338285517e-10 -2.18773212128688e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.580006 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.860763040192372e-18 } }