{ "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" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1665837 14.3789508 -8.13527 ] [ 5.8170085 -7.6880216 8.8296636 ] [ -2.9004232 -5.8092667 -1.5996315 ] [ 1.6825405 -4.380034 -9.8314448 ] [ 0.5191864 -2.5830586 16.6163635 ] [ -8.284896 6.0814302 -5.8796809 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.073426371946361e-09 2.303761880339346e-08 -1.303413939789562e-08 ] [ 9.319875021694878e-09 -1.231756846772541e-08 1.414668058944876e-08 ] [ -4.646990241465923e-09 -9.307471290731969e-09 -2.562892191195236e-09 ] [ 2.695727052649142e-09 -7.017588073109107e-09 -1.575171100724573e-08 ] [ 8.318283119173172e-10 -4.13851609907638e-09 2.662234912241446e-08 ] [ -1.327386667695944e-08 9.743525287467068e-09 -9.420287275744303e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.3281935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.332353815198525e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.1060006 1.0369083 2.0481396 ] [ 0.0707464 2.1099558 0.1329773 ] [ 1.1061668 2.6089699 3.0183228 ] [ 3.1179999 1.1878553 1.1955784 ] [ 2.9001498 0.7197345 3.3407618 ] [ 2.2090831 2.5408941 -0.2822635 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.060006e-11 1.0369083e-10 2.0481396e-10 ] [ 7.07464e-12 2.1099558e-10 1.329773e-11 ] [ 1.1061668e-10 2.6089699e-10 3.0183228e-10 ] [ 3.1179999e-10 1.1878553e-10 1.1955784e-10 ] [ 2.9001498e-10 7.197345000000001e-11 3.3407618e-10 ] [ 2.2090831e-10 2.5408941e-10 -2.822635e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0951403 0.2733063 0.8411581 ] [ 1.009395 0.4827978 -1.3882493 ] [ -0.1723845 -0.4530211 0.4212731 ] [ 0.5493336 -0.3560887 1.4066649 ] [ 0.2179596 0.0655227 -0.8756711 ] [ -1.5091634 -0.012517 -0.4051756 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.524315643558982e-10 4.378849641773511e-10 1.347683842216549e-09 ] [ 1.617229070152416e-09 7.735273477336743e-10 -2.224220572301966e-09 ] [ -2.761904156882976e-10 -7.258198151490989e-10 6.749539117919406e-10 ] [ 8.801294509398989e-10 -5.70516990071065e-10 2.25372561607997e-09 ] [ 3.492097753989197e-10 1.049789380716922e-10 -1.402979763930219e-09 ] [ -2.417946316447038e-09 -2.00544447625536e-11 -6.491628736386125e-10 ] ] } "relaxed-potential-energy" { "source-value" -11.803195 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.891080307974346e-18 } }