{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8572895 -1.8230094 -2.1448531 ] [ 0.9536246 0.1194281 5.04005 ] [ -1.247422 -4.9946164 -5.1957976 ] [ -0.4094652 0.3475852 8.349316 ] [ 1.9844961 1.437656 -6.8381332 ] [ 0.1050089 -0.0277948 6.3925921 ] [ 1.3027497 0.8293258 -4.1594856 ] [ -0.8317028 4.1114256 -1.4436886 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.975705814957322e-09 -2.920783040178635e-09 -3.436433491870405e-09 ] [ 1.527875039139752e-09 1.913449096865645e-10 8.07505027766304e-09 ] [ -1.998590364671578e-09 -8.00225762594426e-09 -8.324585441128749e-09 ] [ -6.560355704711962e-10 5.568928811760922e-10 1.337707889487137e-08 ] [ 3.179513255488779e-09 2.303378831952845e-09 -1.095589714295629e-08 ] [ 1.682428045559251e-10 -4.453217873981184e-11 1.024206160893078e-08 ] [ 2.087235112094214e-09 1.328726407786257e-09 -6.664230582874261e-09 ] [ -1.332534781613898e-09 6.587229974478612e-09 -2.313044122635483e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.016317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.24566154071216e-18 } }