{ "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" [ 5.54692 0 0 ] "si-unit" "m" "si-value" [ 5.54692e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.123956 5.52099 0 ] "si-unit" "m" "si-value" [ 1.23956e-11 5.520990000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.202669 -0.109883 5.46638 ] "si-unit" "m" "si-value" [ 2.02669e-11 -1.09883e-11 5.466380000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.000314992 -0.0047744 0.0104344 ] [ 1.40487 1.33719 1.19876 ] [ 0.131099 2.68123 2.80213 ] [ 1.67848 4.08836 4.2255 ] [ 2.84099 -0.0865799 2.6392 ] [ 4.04763 1.27038 4.03721 ] [ 2.8307 2.64898 -0.0339665 ] [ 4.22323 4.11032 1.34741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.14992e-14 -4.7744e-13 1.04344e-12 ] [ 1.40487e-10 1.33719e-10 1.19876e-10 ] [ 1.31099e-11 2.68123e-10 2.80213e-10 ] [ 1.67848e-10 4.08836e-10 4.225500000000001e-10 ] [ 2.84099e-10 -8.65799e-12 2.639200000000001e-10 ] [ 4.04763e-10 1.27038e-10 4.03721e-10 ] [ 2.8307e-10 2.64898e-10 -3.39665e-12 ] [ 4.22323e-10 4.11032e-10 1.34741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8097878 0.2454741 -0.4621958 ] [ 0.2159716 -0.1029564 1.8658801 ] [ -0.3029506 0.2982402 -0.3966641 ] [ -0.1850303 -0.8805543 -1.6920876 ] [ -1.6901282 0.4072346 0.4968599 ] [ 3.4656188 -1.0123697 -0.6101046 ] [ -1.0961988 2.2465276 1.1937225 ] [ 1.4025052 -1.2015961 -0.3954104 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.899599725658265e-09 3.932928672721794e-10 -7.405193110929372e-10 ] [ 3.460246511275944e-10 -1.649543384007576e-10 2.989469498065583e-09 ] [ -4.853803725762804e-10 4.778334797594868e-10 -6.355259525666394e-10 ] [ -2.964512232420102e-10 -1.410803524428226e-09 -2.711023215401138e-09 ] [ -2.707883910504478e-09 6.524617606763363e-10 7.960573221515765e-10 ] [ 5.552533463711119e-09 -1.62199507830959e-09 -9.774953344159164e-10 ] [ -1.756304103578839e-09 3.599334028356097e-09 1.912554296980065e-09 ] [ 2.247061060503497e-09 -1.925169194925527e-09 -6.335173037205934e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.559965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.69733450288578e-18 } }