{ "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" [ [ 0.6620644 -0.635262 0.0570612 ] [ 1.1265332 0.7215441 -4.9583235 ] [ -3.2335491 2.5648578 3.8014964 ] [ 1.7577242 -3.4389864 2.5544619 ] [ -0.3127728 0.7878464 -1.454696 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.060744111883229e-09 -1.017801932868108e-09 9.142212134800079e-11 ] [ 1.804905170465248e-09 1.156041097420559e-09 -7.944110055513099e-09 ] [ -5.180716812911729e-09 4.109355236692645e-09 6.090668706315117e-09 ] [ 2.816184642256342e-09 -5.509863654723778e-09 4.092699168623245e-09 ] [ -5.011172719107551e-10 1.262269093261017e-09 -2.330679940773264e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.31291837402345 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.512233677209644e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7573647 1.631191 0.1710835 ] [ 1.647349 1.8018292 2.44743 ] [ 2.8320224 1.2934303 1.0007001 ] [ 2.087726 3.5795292 1.4257907 ] [ 4.454504 2.9356134 2.0673035 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.573647e-11 1.631191e-10 1.710835e-11 ] [ 1.647349e-10 1.8018292e-10 2.447430000000001e-10 ] [ 2.8320224e-10 1.2934303e-10 1.0007001e-10 ] [ 2.087726e-10 3.5795292e-10 1.4257907e-10 ] [ 4.454504e-10 2.9356134e-10 2.0673035e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.6804003 -3.095899 -0.5601998 ] [ -23.2723626 -4.0331235 22.9435048 ] [ 2.8779299 14.3547816 -18.2894335 ] [ 18.0881017 -16.8731406 -7.6119669 ] [ 6.9867312 9.6473815 3.5180953 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.49882799842659e-09 -4.960177039023966e-09 -8.975390299314732e-10 ] [ -3.728643557569549e-08 -6.461776233736299e-09 3.675954729262684e-08 ] [ 4.610952040069955e-09 2.299889566569313e-08 -2.930290300279684e-08 ] [ 2.898033389715567e-08 -2.703375161151674e-08 -1.219571550596141e-08 ] [ 1.119397747667878e-08 1.545680921858387e-08 5.636610085845219e-09 ] ] } "relaxed-potential-energy" { "source-value" 3.4405703740234514 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.512401460893014e-19 } }