{ "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" [ [ 0.7826629 0.079664 0.3147899 ] [ 0.4004832 1.295186 0.8087518 ] [ 0.7320587 0.6290848 2.788823 ] [ 1.344916 2.662801 0.2560168 ] [ 0.3963272 2.667865 2.000738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.826629000000001e-11 7.9664e-12 3.147899e-11 ] [ 4.004832e-11 1.295186e-10 8.087518e-11 ] [ 7.320586999999999e-11 6.290848000000001e-11 2.788823e-10 ] [ 1.344916e-10 2.662801e-10 2.560168e-11 ] [ 3.963272e-11 2.667865e-10 2.000738e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 15.3053118 -56.6372575 -25.7529749 ] [ -26.6468909 23.5920951 5.0391353 ] [ 1.4711565 -7.5972717 15.6718387 ] [ 14.6772242 19.2120153 -14.5718376 ] [ -4.8068016 21.4304188 19.6138384 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.452181274001437e-08 -9.074288983272946e-08 -4.126081430082923e-08 ] [ -4.269302561698827e-08 3.779870320491024e-08 8.073584766707994e-09 ] [ 2.357052549837955e-09 -1.217217109960547e-08 2.510905357008867e-08 ] [ 2.351550547147998e-08 3.07810417521119e-08 -2.334665752481438e-08 ] [ -7.701345144344034e-09 3.43353159753128e-08 3.142483332862928e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 27.728821 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.442646872854808e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5040331 -0.499063 0.880785 ] [ 0.3153751 1.230393 -0.7187198 ] [ 1.0066897 0.4884086 2.9681915 ] [ 0.7015776 3.2867151 0.3801065 ] [ 1.1287726 2.8281471 2.6587563 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.040331000000001e-11 -4.99063e-11 8.807850000000001e-11 ] [ 3.153751000000001e-11 1.230393e-10 -7.187198e-11 ] [ 1.0066897e-10 4.884086e-11 2.9681915e-10 ] [ 7.015776e-11 3.2867151e-10 3.801065e-11 ] [ 1.1287726e-10 2.8281471e-10 2.6587563e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9e-07 2.8e-06 6.6e-06 ] [ 2.4e-06 7e-06 -6.8e-06 ] [ 7e-07 2e-07 -6e-07 ] [ -4.3e-06 -7.3e-06 -4.6e-06 ] [ 2.1e-06 -2.7e-06 5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.44195895872e-15 4.48609453824e-15 1.057436569728e-14 ] [ 3.84522388992e-15 1.12152363456e-14 -1.089480102144e-14 ] [ 1.12152363456e-15 3.2043532416e-16 -9.6130597248e-16 ] [ -6.889359469440001e-15 -1.169588933184e-14 -7.370012455680001e-15 ] [ 3.36457090368e-15 -4.32587687616e-15 8.491536090240001e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.0960126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136906548862222e-18 } }