{ "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" [ [ 1.84187 2.347102 1.383115 ] [ 2.042679 1.03426 3.627522 ] [ 0.9834518 3.478775 3.226301 ] [ 4.103178 1.51668 2.106844 ] [ 3.482715 3.397853 2.716774 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84187e-10 2.347102e-10 1.383115e-10 ] [ 2.042679e-10 1.03426e-10 3.627522e-10 ] [ 9.834518e-11 3.478775e-10 3.226301e-10 ] [ 4.103178e-10 1.51668e-10 2.106844e-10 ] [ 3.482715e-10 3.397853e-10 2.716774e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.0140414 -3.4300136 -7.1893063 ] [ -1.3092149 4.1437664 -2.1688159 ] [ -3.0308878 -1.8884858 3.6246815 ] [ 7.0058298 -6.7506022 0.7814962 ] [ 7.3483144 7.9253352 4.9519445 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.604426314298865e-08 -5.495487644222222e-09 -1.151853856852899e-08 ] [ -2.097593521664646e-09 6.639045702834297e-09 -3.47482615842768e-09 ] [ -4.856017613435665e-09 -3.025687822400797e-09 5.80738000499207e-09 ] [ 1.122457680734089e-08 -1.081565711026899e-08 1.252094951199791e-09 ] [ 1.177329763096573e-08 1.269778687405772e-08 7.933889770764811e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.429807 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.151692297452964e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8788573 2.2731214 1.2634265 ] [ 1.80422 0.8788225 3.4209972 ] [ 1.2569355 3.3333725 3.5203745 ] [ 4.030569 1.4173986 2.378165 ] [ 3.483312 3.8719551 2.4775928 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8788573e-10 2.2731214e-10 1.2634265e-10 ] [ 1.80422e-10 8.788225e-11 3.4209972e-10 ] [ 1.2569355e-10 3.3333725e-10 3.5203745e-10 ] [ 4.030569e-10 1.4173986e-10 2.378165e-10 ] [ 3.483312e-10 3.8719551e-10 2.4775928e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.97e-05 -3.5e-05 -2.8e-05 ] [ -2.89e-05 -4.52e-05 2.63e-05 ] [ -1.32e-05 3.71e-05 5.07e-05 ] [ -5.6e-05 9.93e-05 -3.66e-05 ] [ 1.84e-05 -5.62e-05 -1.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.276934777298e-13 -5.607618218999999e-14 -4.486094575199999e-14 ] [ -4.63029047226e-14 -7.24183838568e-14 4.21372454742e-14 ] [ -2.11487315688e-14 5.94407531214e-14 8.123035534379999e-14 ] [ -8.972189150399998e-14 1.590961397562e-13 -5.86396648044e-14 ] [ 2.94800500656e-14 -9.004232683079999e-14 -1.98669902616e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.709606 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.67717402965462e-18 } }