{ "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" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.2071415 -1.4368134 -6.0712947 ] [ -5.051072 -2.641429 11.0810111 ] [ 8.9999741 -8.0891142 -4.7433099 ] [ 0.1237293 11.1491563 -0.2013735 ] [ 2.1345101 1.0182003 -0.0650329 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.944936993297444e-09 -2.302028837932158e-09 -9.72728642632695e-09 ] [ -8.092709468377497e-09 -4.232035789303123e-09 1.775373691924529e-08 ] [ 1.441954809082552e-08 -1.296018965422129e-08 -7.599620226989186e-09 ] [ 1.982361917679495e-10 1.786291756550503e-08 -3.226359137486689e-10 ] [ 3.41986217908147e-09 1.631336715951546e-09 -1.041941919628243e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.3776923 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.61601287691618e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.384981 2.1206125 -0.1807512 ] [ 1.5815338 1.6805605 3.0371596 ] [ 2.9566555 0.7366033 1.1790327 ] [ 1.754931 3.7600339 1.6658903 ] [ 4.1008648 2.9437828 1.4109764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.384981e-10 2.1206125e-10 -1.807512e-11 ] [ 1.5815338e-10 1.6805605e-10 3.0371596e-10 ] [ 2.9566555e-10 7.366033e-11 1.1790327e-10 ] [ 1.754931e-10 3.7600339e-10 1.6658903e-10 ] [ 4.1008648e-10 2.9437828e-10 1.4109764e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.7e-06 -2.6e-06 -5.9e-06 ] [ -3.2e-06 2.1e-06 5.6e-06 ] [ -9e-07 7.2e-06 -1.9e-06 ] [ 2.4e-06 -6.8e-06 2.5e-06 ] [ 3.4e-06 1e-07 -2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.72370025536e-15 -4.16565921408e-15 -9.45284206272e-15 ] [ -5.126965186560001e-15 3.36457090368e-15 8.972189076479999e-15 ] [ -1.44195895872e-15 1.153567166976e-14 -3.04413557952e-15 ] [ 3.84522388992e-15 -1.089480102144e-14 4.005441552e-15 ] [ 5.44740051072e-15 1.6021766208e-16 -3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -11.458486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.835851837896411e-18 } }