{ "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" [ [ 0.5178768 0.1602588 0.5935764 ] [ 0.4933098 1.000634 2.761993 ] [ 1.438085 2.624316 0.8145388 ] [ 2.471365 1.192312 0.8679319 ] [ 2.522268 2.85035 2.866422 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.178768e-11 1.602588e-11 5.935764e-11 ] [ 4.933098e-11 1.000634e-10 2.761993e-10 ] [ 1.438085e-10 2.624316e-10 8.145388e-11 ] [ 2.471365e-10 1.192312e-10 8.679319e-11 ] [ 2.522268e-10 2.85035e-10 2.866422e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0652362 -7.7096679 -5.8116758 ] [ -0.7891604 1.5789152 6.8174319 ] [ -52.267524 76.6609436 -6.1318273 ] [ 58.3758394 -72.0093694 0.2659267 ] [ 0.7460812 1.4791785 4.8601445 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.717579639269834e-09 -1.235224966351223e-08 -9.311331094429137e-09 ] [ -1.264374342941176e-09 2.529701019665756e-09 1.092273000407612e-08 ] [ -8.374180497990292e-08 1.228243715643874e-07 -9.824270342843187e-09 ] [ 9.352840510625551e-08 -1.153717281312309e-07 4.260615415864954e-10 ] [ 1.195353855858409e-09 2.369905210690013e-09 7.786809891609705e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 7.6704863 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.22894738200267e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6596864 0.1140278 0.7042372 ] [ 0.1695966 1.3946818 2.9201757 ] [ 0.9555152 2.8506172 0.720311 ] [ 3.074109 1.0939215 0.6719131 ] [ 2.5839974 2.3746226 2.8878252 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.596864000000001e-11 1.140278e-11 7.042372e-11 ] [ 1.695966e-11 1.3946818e-10 2.9201757e-10 ] [ 9.555152000000001e-11 2.8506172e-10 7.203110000000001e-11 ] [ 3.074109e-10 1.0939215e-10 6.719131000000001e-11 ] [ 2.5839974e-10 2.3746226e-10 2.8878252e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.29e-05 -1.38e-05 -9.3e-06 ] [ 2e-06 1.76e-05 -7.4e-06 ] [ -3.67e-05 1.37e-05 -1.59e-05 ] [ -4.3e-06 -9.8e-06 -1.6e-06 ] [ 2.6e-05 -7.7e-06 3.42e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.066807840832e-14 -2.211003736704e-14 -1.490024257344e-14 ] [ 3.2043532416e-15 2.819830852608e-14 -1.185610699392e-14 ] [ -5.879988198335999e-14 2.194981970496e-14 -2.547460827072e-14 ] [ -6.889359469440001e-15 -1.570133088384e-14 -2.56348259328e-15 ] [ 4.16565921408e-14 -1.233675998016e-14 5.479444043136e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.98496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.561072919642317e-18 } }