{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3553141 -7.5130272 -4.7119068 ] [ -2.8805241 0.124658 20.1912305 ] [ 6.0500231 -5.8948521 8.056786 ] [ -24.1918272 -28.0334884 17.6915049 ] [ 14.6398815 19.9872561 -27.2070707 ] [ 4.2173682 8.6934376 -3.4192015 ] [ 6.2071642 8.1721869 -9.7861151 ] [ -2.6867715 4.4638292 -0.8152272 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.171452582750739e-09 -1.203719663044644e-08 -7.549306976545711e-09 ] [ -4.61510840669388e-09 1.99724134841172e-10 3.234991771880813e-08 ] [ 9.693205645980244e-09 -9.444594295505831e-09 1.290839427433833e-08 ] [ -3.875958027360564e-08 -4.491460008399004e-08 2.83449157710765e-08 ] [ 2.345567606382887e-08 3.202311470119396e-08 -4.359053295512602e-08 ] [ 6.756968787014639e-09 1.392842259185704e-08 -5.47816475023775e-09 ] [ 9.944973444641302e-09 1.309328689986089e-08 -1.567908495085457e-08 ] [ -4.304682518197131e-09 7.151842842406913e-09 -1.306137971241245e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.401954 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.627882745074284e-18 } }