{ "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" [ [ -2.9699315 -2.8390135 -3.1062263 ] [ 1.1985467 0.1584219 7.3040717 ] [ -1.7084775 -6.7806252 -7.2299721 ] [ -0.6063639 0.5241221 11.7765513 ] [ 2.3891374 1.7180873 -9.3753385 ] [ 0.6673207 1.1165771 7.6856384 ] [ 1.8758626 1.436556 -5.9226795 ] [ -0.8460945 4.6658744 -1.1320449 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.758354814677475e-09 -4.548601055835581e-09 -4.976723156774087e-09 ] [ 1.920283501676991e-09 2.538198644027155e-10 1.170241291438691e-08 ] [ -2.737282707662832e-09 -1.086375916984732e-08 -1.158369226765628e-08 ] [ -9.71502064277109e-10 8.397361750645998e-10 1.886811516651185e-08 ] [ 3.827820086158898e-09 2.752679304553396e-09 -1.502094815678614e-08 ] [ 1.069165624115891e-09 1.788953724940664e-09 1.231375016040272e-08 ] [ 3.005463201553102e-09 2.301616437669965e-09 -9.489178627391433e-09 ] [ -1.355592826887465e-09 7.475554879269228e-09 -1.813735872475874e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.062823 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.695071582024852e-18 } }