{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.742286 2.30018 2.898395 ] [ 1.359684 3.93311 2.87757 ] [ 2.145194 3.5026 4.929711 ] [ 3.276834 4.602113 2.280609 ] [ 3.311324 5.492688 4.465054 ] [ 4.684796 3.351118 3.565163 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.742286e-10 2.30018e-10 2.898395e-10 ] [ 1.359684e-10 3.93311e-10 2.87757e-10 ] [ 2.145194e-10 3.5026e-10 4.929711e-10 ] [ 3.276834e-10 4.602113e-10 2.280609e-10 ] [ 3.311324e-10 5.492688e-10 4.465054e-10 ] [ 4.684796000000001e-10 3.351118e-10 3.565163e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0103107 -7.135473 -0.8319407 ] [ -6.4379162 1.5021191 -1.5757622 ] [ -0.7838649 0.0277175 4.5044192 ] [ 2.7350963 5.3205046 -4.217713 ] [ 0.712279 0.9355105 1.12386 ] [ 2.7640951 -0.6503788 0.9971368 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.618696183284083e-09 -1.143228801894964e-08 -1.332915939431987e-09 ] [ -1.031467882230958e-08 2.406660103677137e-09 -2.524649356780374e-09 ] [ -1.25589001664573e-09 4.4408330487024e-11 7.216875132522639e-09 ] [ 4.382107347496583e-09 8.524388080978855e-09 -6.75752116184423e-09 ] [ 1.141196761286803e-09 1.498853051612918e-09 1.800622217052288e-09 ] [ 4.428568546887838e-09 -1.042021708023959e-09 1.597589268699326e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8178403 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.412773757460806e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8611675 2.0505141 3.4534175 ] [ 1.3827031 3.770325 2.5429376 ] [ 1.8309897 3.6904577 4.944036 ] [ 3.172833 5.1567343 2.2548465 ] [ 3.6211235 5.0768609 4.6559399 ] [ 4.6513012 3.436917 3.1653246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8611675e-10 2.0505141e-10 3.4534175e-10 ] [ 1.3827031e-10 3.770325e-10 2.5429376e-10 ] [ 1.8309897e-10 3.6904577e-10 4.944036e-10 ] [ 3.172833e-10 5.1567343e-10 2.2548465e-10 ] [ 3.6211235e-10 5.0768609e-10 4.6559399e-10 ] [ 4.6513012e-10 3.436917000000001e-10 3.1653246e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.7e-06 -5.4e-06 9.8e-06 ] [ -7.7e-06 1.26e-05 -4e-06 ] [ 3.3e-06 -4.4e-06 -3e-06 ] [ -2.7e-06 -8e-07 -9.2e-06 ] [ -7e-07 -5.2e-06 4.4e-06 ] [ 4e-06 3.2e-06 2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.928053496960001e-15 -8.65175375232e-15 1.570133088384e-14 ] [ -1.233675998016e-14 2.018742542208e-14 -6.4087064832e-15 ] [ 5.28718284864e-15 -7.04957713152e-15 -4.8065298624e-15 ] [ -4.32587687616e-15 -1.28174129664e-15 -1.474002491136e-14 ] [ -1.12152363456e-15 -8.33131842816e-15 7.04957713152e-15 ] [ 6.4087064832e-15 5.126965186560001e-15 3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }