{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.860772 3.213277 0.634813 ] [ 3.47304 1.055338 1.294101 ] [ 4.886118 2.711251 1.984131 ] [ 3.680898 4.652345 1.961095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.860772e-10 3.213277e-10 6.34813e-11 ] [ 3.47304e-10 1.055338e-10 1.294101e-10 ] [ 4.886118e-10 2.711251e-10 1.984131e-10 ] [ 3.680898e-10 4.652345e-10 1.961095e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7052575 -2.3194748 -2.5960406 ] [ -0.4285409 -0.954136 -0.1747029 ] [ 1.0387385 -0.1007528 0.3368856 ] [ 1.0950599 3.3743637 2.4338579 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.732123721453255e-09 -3.716208327711823e-09 -4.15931559023534e-09 ] [ -6.865982166933305e-10 -1.528694404858224e-09 -2.799049042720385e-10 ] [ 1.664242553536209e-09 -1.614237819700752e-10 5.397502366510703e-10 ] [ 1.754479384610377e-09 5.406326674757785e-09 3.899470257856308e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.074192 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.614063502882973e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8794166 3.1497636 0.5494558 ] [ 3.4301553 0.9825751 1.3215163 ] [ 4.8986832 2.735048 1.9284423 ] [ 3.6925729 4.7648244 2.0747255 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8794166e-10 3.1497636e-10 5.494558000000001e-11 ] [ 3.4301553e-10 9.825751e-11 1.3215163e-10 ] [ 4.8986832e-10 2.735048e-10 1.9284423e-10 ] [ 3.6925729e-10 4.7648244e-10 2.0747255e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 -5.8e-06 -3.7e-06 ] [ -3e-07 1.2e-05 9e-07 ] [ 3.9e-06 -3.1e-06 1.1e-06 ] [ -7e-07 -3.1e-06 1.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.6463122386e-15 -9.2926244772e-15 -5.9280535458e-15 ] [ -4.806529901999999e-16 1.9226119608e-14 1.4419589706e-15 ] [ 6.248488872599999e-15 -4.9667475654e-15 1.7623942974e-15 ] [ -1.1215236438e-15 -4.9667475654e-15 2.7237002778e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.547071 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.689827071333901e-18 } }