{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.1055432 -8.4127761 -11.3001365 ] [ -6.2667623 -3.7239906 6.7124561 ] [ 15.3410031 -15.1567285 7.0889319 ] [ 8.6812035 13.033068 -15.8446398 ] [ -6.6499011 14.2604272 13.3433883 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.779304167632442e-08 -1.3478753183445e-08 -1.810481451214874e-08 ] [ -1.004046004517084e-08 -5.966490675398964e-09 1.075454023156635e-08 ] [ 2.457899650644032e-08 -2.428375605051305e-08 1.135772095662333e-08 ] [ 1.390882128810713e-08 2.088127684689661e-08 -2.538591145255719e-08 ] [ -1.06543160730522e-08 2.284772306246041e-08 2.137846477651626e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 55.222562 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.84762977770785e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0441778 -0.4457749 -1.2810607 ] [ -0.9469485 -0.6925015 4.1465536 ] [ 4.3550257 -0.6526278 2.2188708 ] [ 3.693398 3.6107804 -1.2768013 ] [ 1.1436685 4.3585356 3.5412898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.417780000000001e-12 -4.457749e-11 -1.2810607e-10 ] [ -9.469485e-11 -6.925015e-11 4.1465536e-10 ] [ 4.3550257e-10 -6.526278e-11 2.2188708e-10 ] [ 3.693398e-10 3.6107804e-10 -1.2768013e-10 ] [ 1.1436685e-10 4.3585356e-10 3.5412898e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.0 -0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -8.8817842e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.423018699623083e-34 } }