{ "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" [ [ 2.420109 0.1444118 2.696301 ] [ 1.741529 2.490211 2.002098 ] [ 2.88298 4.123868 0.919121 ] [ 3.624829 1.629307 1.356835 ] [ 3.547112 2.169997 3.636924 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.420109e-10 1.444118e-11 2.696301e-10 ] [ 1.741529e-10 2.490211e-10 2.002098e-10 ] [ 2.88298e-10 4.123868e-10 9.19121e-11 ] [ 3.624829e-10 1.629307e-10 1.356835e-10 ] [ 3.547112e-10 2.169997e-10 3.636924e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9560214 -17.8216397 4.2330981 ] [ -46.6604167 9.8993744 9.0267449 ] [ 7.2252902 13.482407 -8.1218761 ] [ 34.9966197 -12.0788053 -24.1007295 ] [ 10.3945281 6.5186636 18.9627626 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.542598240064484e-09 -2.855341447166112e-08 6.782170809372901e-09 ] [ -7.475822875352588e-08 1.586054622422603e-08 1.446243964070563e-08 ] [ 1.157619103693536e-08 2.160119728751027e-08 -1.301268000445428e-08 ] [ 5.60707658903687e-08 -1.935237945885513e-08 -3.861362534912487e-08 ] [ 1.665386990606864e-08 1.044405041877996e-08 3.038169490350063e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.8625871 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.188546747423672e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.284628 0.1583391 2.4024778 ] [ 1.584967 2.7504874 2.4274059 ] [ 2.7100129 3.8502756 0.3588823 ] [ 4.0695539 1.8913424 1.3924545 ] [ 3.5673972 1.9073504 4.0300585 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.284628e-10 1.583391e-11 2.4024778e-10 ] [ 1.584967e-10 2.7504874e-10 2.4274059e-10 ] [ 2.7100129e-10 3.8502756e-10 3.588823e-11 ] [ 4.0695539e-10 1.8913424e-10 1.3924545e-10 ] [ 3.5673972e-10 1.9073504e-10 4.0300585e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.5e-05 1.3e-05 -4.5e-06 ] [ -1.47e-05 1.61e-05 8.1e-06 ] [ -7.6e-06 -7.5e-06 1.34e-05 ] [ 2.17e-05 -2.29e-05 -1.67e-05 ] [ -1.44e-05 1.3e-06 -3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.4032649312e-14 2.08282960704e-14 -7.2097947936e-15 ] [ -2.355199632576e-14 2.579504359488e-14 1.297763062848e-14 ] [ -1.217654231808e-14 -1.2016324656e-14 2.146916671872e-14 ] [ 3.476723267136e-14 -3.668984461632e-14 -2.675634956736e-14 ] [ -2.307134333952e-14 2.08282960704e-15 -4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -16.624493 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.663537401725326e-18 } }