{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.0626 7.522377 7.187568 6.944311 6.753141 6.595639 6.461702 6.345189 6.242083 6.149615 6.065793 5.989139 5.918521 5.853059 5.792051 5.734929 5.681227 5.630559 5.5826 5.537075 5.49375 5.452421 5.412912 5.37507 5.336814 5.29739 5.256726 5.214741 5.171346 5.126443 5.079924 5.031668 4.981539 4.929388 4.875044 4.818314 4.758979 4.696788 4.631453 4.562638 4.489952 4.412934 4.331033 4.243589 4.149797 4.048661 3.938935 3.819021 3.686833 3.539568 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.0626e-10 7.522377e-10 7.187568e-10 6.944311e-10 6.753141000000001e-10 6.595639e-10 6.461702e-10 6.345189000000001e-10 6.242083e-10 6.149615e-10 6.065793000000001e-10 5.989139e-10 5.918521e-10 5.853059000000001e-10 5.792051e-10 5.734929e-10 5.681227e-10 5.630559000000001e-10 5.5826e-10 5.537075e-10 5.493750000000001e-10 5.452421e-10 5.412912000000001e-10 5.37507e-10 5.336814000000001e-10 5.297390000000001e-10 5.256726e-10 5.214741e-10 5.171346e-10 5.126443e-10 5.079924000000001e-10 5.031668e-10 4.981539e-10 4.929388000000001e-10 4.875044e-10 4.818314e-10 4.758979e-10 4.696788e-10 4.631453e-10 4.562638e-10 4.4899519999999997e-10 4.4129340000000003e-10 4.331033e-10 4.2435890000000003e-10 4.1497970000000006e-10 4.048661e-10 3.938935e-10 3.8190210000000004e-10 3.6868330000000003e-10 3.539568e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.900325 1.29385 1.58431 1.81547 2.00576 2.17126 2.31352 2.43693 2.54459 2.63883 2.72139 2.79369 2.85683 2.91173 2.95916 3.00155 3.03779 3.06829 3.09344 3.11361 3.12912 3.14026 3.14728 3.15033 3.14776 3.14063 3.12815 3.10938 3.08318 3.0482 3.00283 2.9451 2.87261 2.78244 2.671 2.5338 2.36586 2.15997 1.90697 1.59542 1.20906 0.728654 0.130811 -0.621199 -1.57601 -2.80117 -4.39741 -6.49646 -9.29993 -13.0897 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.44247967800605e-19 2.0729762379008998e-19 2.53834446301254e-19 2.9087036137279798e-19 3.2135818054118397e-19 3.47874203833884e-19 3.70666768629168e-19 3.9043923046936193e-19 4.0768826411100594e-19 4.22787176709822e-19 4.360147470001259e-19 4.475984840639459e-19 4.577146273310219e-19 4.66510577051682e-19 4.741097008267439e-19 4.809013275782699e-19 4.86707615699886e-19 4.91594254433586e-19 4.95623728668096e-19 4.98855318938874e-19 5.013402948982079e-19 5.03125119668484e-19 5.042498476655519e-19 5.04738511538922e-19 5.0432675214398395e-19 5.031844002039419e-19 5.0118488376471e-19 4.98177598222692e-19 4.93979895441612e-19 4.883754815758799e-19 4.811064061874219e-19 4.7185704047934e-19 4.602428620594739e-19 4.457960353506959e-19 4.2794137894139996e-19 4.0595951552291993e-19 3.79052561131524e-19 3.4606534641409797e-19 3.05530277573898e-19 2.5561446454162797e-19 1.9371276811040398e-19 1.167432413070636e-19 2.09582327670174e-20 -9.952705228641659e-20 -2.52504639695034e-19 -4.487969121861779e-19 -7.045427552117939e-19 -1.040847641571564e-18 -1.490013054383562e-18 -2.09720114860698e-18 ] } }